2-[6-(oxiran-2-yl)hexoxy]oxane

C13H24O3 — CID 177274031

IUPAC2-[6-(oxiran-2-yl)hexoxy]oxane
SMILESC(CCCC1CO1)CCOC1CCCCO1
InChIInChI=1S/C13H24O3/c1(3-7-12-11-16-12)2-5-9-14-13-8-4-6-10-15-13/h12-13H,1-11H2
InChIKeyLBRVOVIRHCXALD-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.88
Rot. Bonds8

About 2-[6-(oxiran-2-yl)hexoxy]oxane

2-[6-(oxiran-2-yl)hexoxy]oxane (PubChem CID 177274031) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-[6-(oxiran-2-yl)hexoxy]oxane.

Molecular Properties

Compound Name2-[6-(oxiran-2-yl)hexoxy]oxane
PubChem CID177274031
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2-[6-(oxiran-2-yl)hexoxy]oxane
SMILESC(CCCC1CO1)CCOC1CCCCO1
InChIInChI=1S/C13H24O3/c1(3-7-12-11-16-12)2-5-9-14-13-8-4-6-10-15-13/h12-13H,1-11H2
InChIKeyLBRVOVIRHCXALD-UHFFFAOYSA-N
XLogP2.88
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[5-(oxiran-2-yl)pentoxy]oxane
CID 169009121
2-(14-cyclobutyltetradecoxy)oxane
CID 151611436
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-[6-(2-cyclopropylcyclopropyl)hexoxy]oxane
CID 85231493
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
2-(12-bromododecoxy)oxane
CID 11078592
[(1S,2R)-2-[5-(oxan-2-yloxy)pentyl]cyclopropyl]methanol
CID 10890082
2-(18-iodooctadecoxy)oxane
CID 86124950
2-octacosoxyoxane
CID 11214102
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
2-(12-chlorododecoxy)oxane
CID 14014573
zinc 2-(3-bromopropoxy)oxane
CID 175895645

Frequently Asked Questions

What is the IUPAC name of 2-[6-(oxiran-2-yl)hexoxy]oxane?
The IUPAC name of 2-[6-(oxiran-2-yl)hexoxy]oxane (CID 177274031) is 2-[6-(oxiran-2-yl)hexoxy]oxane.
What is the SMILES notation for 2-[6-(oxiran-2-yl)hexoxy]oxane?
The canonical SMILES for 2-[6-(oxiran-2-yl)hexoxy]oxane is C(CCCC1CO1)CCOC1CCCCO1.
What is the InChIKey of 2-[6-(oxiran-2-yl)hexoxy]oxane?
The InChIKey is LBRVOVIRHCXALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1(3-7-12-11-16-12)2-5-9-14-13-8-4-6-10-15-13/h12-13H,1-11H2.
What are the key properties of 2-[6-(oxiran-2-yl)hexoxy]oxane?
2-[6-(oxiran-2-yl)hexoxy]oxane has a molecular weight of 228.33 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(oxiran-2-yl)hexoxy]oxane is sourced from PubChem (CID 177274031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).